5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine

C13H19N5S2 — CID 80895253

IUPAC5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2nc(CC)ns2)c1CC
InChIInChI=1S/C13H19N5S2/c1-4-7-14-11-9(5-2)12(16-8-15-11)19-13-17-10(6-3)18-20-13/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyJCZNGUZXIFOIIC-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.43
Rot. Bonds7

About 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine

5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 80895253) has the molecular formula C13H19N5S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID80895253
Molecular FormulaC13H19N5S2
Molecular Weight309.46 g/mol
Exact Mass309.11
IUPAC Name5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2nc(CC)ns2)c1CC
InChIInChI=1S/C13H19N5S2/c1-4-7-14-11-9(5-2)12(16-8-15-11)19-13-17-10(6-3)18-20-13/h8H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyJCZNGUZXIFOIIC-UHFFFAOYSA-N
XLogP3.43
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80885817
5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
CID 114073926
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80895438
5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80892174
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 107765164
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
5-ethyl-6-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-4-amine
CID 80883437
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine (CID 80895253) is 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2nc(CC)ns2)c1CC.
What is the InChIKey of 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is JCZNGUZXIFOIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S2/c1-4-7-14-11-9(5-2)12(16-8-15-11)19-13-17-10(6-3)18-20-13/h8H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine?
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 309.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80895253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).